Geometry & MOs

Info

ID:	157166
PubChem CID:	56422214
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	404.03717
ΔH_f, kcal/mol:	2.76
Dipole, Da:	4.13
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations